⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11425344 | 0.70 | PABPC1 (0.41) | — | |
| SCHEMBL4853206 | 0.63 | SIGMAR1 (0.46) | — | |
| SCHEMBL4965137 | 0.63 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL11256805 | 0.59 | KDM4E (0.33) | — | |
| SCHEMBL13525234 | 0.59 | ESR1 (0.33) | — | |
| SCHEMBL5963900 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL7564575 | 0.59 | IDO1 (0.37) | — | |
| SCHEMBL1435819 | 0.57 | KDM4E (0.33) | — | |
| SCHEMBL1435815 | 0.57 | KDM4E (0.33) | — | |
| SCHEMBL17006480 | 0.57 | HTT (0.57) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4093806-A | HAIR DYES | L'OREAL (FR) | 1978-06-06 | — | — | US | disclosed |
| US-4046786-A | HAIR DYES | L'OREAL (FR) | 1977-09-06 | — | — | US | disclosed |